ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Structural and spectroscopic analysis of dipeptide l -methionyl-glycine and its hydrochloride

B. B. Koleva, T. M. Kolev, and S. Todorov

Faculty of Chemistry, Ruhr-University Bochum, 4478 Bochum, Germany

E-mail: BKoleva@chem.uni-sofia.bg

Received: 12 April 2007  Revised: 30 May 2007  Accepted: 31 May 2007

Abstract: Dipeptide l-methionyl-glycine (Met-Gly) hydrochloride was characterized structurally by means of solid-state linear polarized IR (IR-LD) spectroscopy of oriented samples as colloidal suspension in nematic liquid crystal. Quantum chemical ab initio calculations and vibrational analysis support the experimental data. ¹H and ¹³C nuclear magnetic resonance (NMR) data, mass spectrometry (ESI-MS and FAB-MS) techniques, thermogravimetry (TGV), and differential scanning calorimetry (DSC) method were employed as well. The experimental and theoretical data of hydrochloride salt were compared with analogous data of the neutral dipeptide with the aim to explain the role of intermolecular hydrogen bonding on the conformational behavior and spectroscopic properties of the compound studied.

Keywords: Met-Gly - hydrochloride - IR-LD analysis -  ¹H and ¹³C NMR - ESI-MS - FAB-MS -  ab initio calculations

Full paper is available at www.springerlink.com.

DOI: 10.2478/s11696-007-0067-7

Chemical Papers 61 (6) 490–496 (2007)